Propanoic acid,2,2-dimethyl-, hexyl ester

Modify Date: 2025-09-12 21:12:22

Propanoic acid,2,2-dimethyl-, hexyl ester Structure
Propanoic acid,2,2-dimethyl-, hexyl ester structure
 Common Name Propanoic acid,2,2-dimethyl-, hexyl ester
CAS Number 5434-57-1 Molecular Weight 186.29100
Density 0.871g/cm3 Boiling Point 203.2ºC at 760mmHg
Molecular Formula C11H22O2 Melting Point N/A
MSDS N/A Flash Point 76.7ºC

 Names

Name hexyl 2,2-dimethylpropanoate
Synonym More Synonyms

 Chemical & Physical Properties

Density 0.871g/cm3
Boiling Point 203.2ºC at 760mmHg
Molecular Formula C11H22O2
Molecular Weight 186.29100
Flash Point 76.7ºC
Exact Mass 186.16200
PSA 26.30000
LogP 3.15600
Index of Refraction 1.426

 Toxicological Information

CHEMICAL IDENTIFICATION

RTECS NUMBER :
TO7876600
CHEMICAL NAME :
Pivalic acid, hexyl ester
CAS REGISTRY NUMBER :
5434-57-1
LAST UPDATED :
199712
DATA ITEMS CITED :
5
MOLECULAR FORMULA :
C11-H22-O2
MOLECULAR WEIGHT :
186.33

HEALTH HAZARD DATA

ACUTE TOXICITY DATA

TYPE OF TEST :
Standard Draize test
ROUTE OF EXPOSURE :
Administration onto the skin
SPECIES OBSERVED :
Rodent - rabbit
REFERENCE :
FCTOD7 Food and Chemical Toxicology. (Pergamon Press Inc., Maxwell House, Fairview Park, Elmsford, NY 10523) V.20- 1982- Volume(issue)/page/year: 20,723,1982 ** ACUTE TOXICITY DATA **
TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Oral
SPECIES OBSERVED :
Rodent - rat
DOSE/DURATION :
>5 gm/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
REFERENCE :
FCTOD7 Food and Chemical Toxicology. (Pergamon Press Inc., Maxwell House, Fairview Park, Elmsford, NY 10523) V.20- 1982- Volume(issue)/page/year: 20,723,1982
TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Administration onto the skin
SPECIES OBSERVED :
Rodent - rabbit
DOSE/DURATION :
>5 gm/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
REFERENCE :
FCTOD7 Food and Chemical Toxicology. (Pergamon Press Inc., Maxwell House, Fairview Park, Elmsford, NY 10523) V.20- 1982- Volume(issue)/page/year: 20,723,1982 *** NIOSH STANDARDS DEVELOPMENT AND SURVEILLANCE DATA *** NIOSH OCCUPATIONAL EXPOSURE SURVEY DATA : NOES - National Occupational Exposure Survey (1983) NOES Hazard Code - X6878 No. of Facilities: 7 (estimated) No. of Industries: 1 No. of Occupations: 5 No. of Employees: 1557 (estimated) No. of Female Employees: 276 (estimated)

 Safety Information

HS Code 2915900090

 Synthetic Route

1-(2,5-dichlorophenyl)-2,2-bis(methylthio)vinyl pivalate structure

1-(2,5-dichloro...

CAS#:243990-73-0

1-Hexanol structure

1-Hexanol

CAS#:111-27-3

~87%

Propanoic acid,2,2-dimethyl-, hexyl ester Structure

Propanoic acid,...

CAS#:5434-57-1

Literature: Degani; Dughera; Fochi; Serra Synthesis, 1999 , # 7 p. 1200 - 1208
Pivaloyl chloride structure

Pivaloyl chloride

CAS#:3282-30-2

~%

Propanoic acid,2,2-dimethyl-, hexyl ester Structure

Propanoic acid,...

CAS#:5434-57-1

Literature: Degani; Dughera; Fochi; Serra Synthesis, 1999 , # 7 p. 1200 - 1208
2,2-Dimethyl-1-(2-Thioxothiazolidin-3-Yl)Propan-1-One structure

2,2-Dimethyl-1-...

CAS#:138459-91-3

1-Hexanol structure

1-Hexanol

CAS#:111-27-3

~94%

Propanoic acid,2,2-dimethyl-, hexyl ester Structure

Propanoic acid,...

CAS#:5434-57-1

Literature: Yamada, Shinji; Sugaki, Takayuki; Matsuzaki, Kazuhiro Journal of Organic Chemistry, 1996 , vol. 61, # 17 p. 5932 - 5938
N-(dimethylpropionyl)oxazolidin-2-one structure

N-(dimethylprop...

CAS#:141923-62-8

1-Hexanol structure

1-Hexanol

CAS#:111-27-3

~1%

Propanoic acid,2,2-dimethyl-, hexyl ester Structure

Propanoic acid,...

CAS#:5434-57-1

Literature: Yamada, Shinji; Sugaki, Takayuki; Matsuzaki, Kazuhiro Journal of Organic Chemistry, 1996 , vol. 61, # 17 p. 5932 - 5938
carbon monoxide structure

carbon monoxide

CAS#:201230-82-2

1-Hexanol structure

1-Hexanol

CAS#:111-27-3

~%

Propanoic acid,2,2-dimethyl-, hexyl ester Structure

Propanoic acid,...

CAS#:5434-57-1

Literature: Eidus,Ya.T. et al. Zhurnal Organicheskoi Khimii, 1968 , vol. 4, # 4 p. 580 - 584,568 - 572

 Customs

HS Code 2915900090
Summary 2915900090 other saturated acyclic monocarboxylic acids and their anhydrides, halides, peroxides and peroxyacids; their halogenated, sulphonated, nitrated or nitrosated derivatives VAT:17.0% Tax rebate rate:9.0% Supervision conditions:AB(certificate of inspection for goods inward,certificate of inspection for goods outward) MFN tariff:5.5% General tariff:30.0%

 Synonyms

Hexyl neopentanoate
Pivalic acid,hexyl ester
n-Hexylneopentanoat
1-hexyl pivalate
Trimethylessigsaeure-hexylester
EINECS 226-602-5
Hexylneopentanoat
Hexyl 2,2-dimethylpropionate
Propanoic acid,2,2-dimethyl-,hexyl ester
Hexyl pivalate
n-Hexyl pivalate
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Chemsrc provides CAS#:5434-57-1 MSDS, density, melting point, boiling point, structure, etc. Its name is Propanoic acid,2,2-dimethyl-, hexyl ester>> amp version: Propanoic acid,2,2-dimethyl-, hexyl ester

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